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Information card for entry 4031713
Preview
| Coordinates | 4031713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.5 H42.5 Cl7.5 S14 Si5 |
|---|---|
| Calculated formula | C46.5 H42.5 Cl7.5 S14 Si5 |
| SMILES | [Si]12(c3c4c5cc([Si](C)(C)C)sc5sc4sc3Sc3sc4sc5sc([Si](C)(C)C)cc5c4c13)c1c3c4cc([Si](C)(C)C)sc4sc3sc1Sc1sc3sc4sc([Si](C)(C)C)cc4c3c21.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures. |
| Authors of publication | Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 21 |
| Pages of publication | 11156 - 11161 |
| a | 21.032 ± 0.003 Å |
| b | 29.029 ± 0.005 Å |
| c | 21.783 ± 0.003 Å |
| α | 90° |
| β | 93.949 ± 0.003° |
| γ | 90° |
| Cell volume | 13268 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2095 |
| Residual factor for significantly intense reflections | 0.0925 |
| Weighted residual factors for significantly intense reflections | 0.1852 |
| Weighted residual factors for all reflections included in the refinement | 0.2344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190287 (current) | 2017-01-09 | cif/4: Fixing Z values and formulae |
4031713.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4031713.cif |
| 170814 | 2015-12-06 | cif/ Updating files of 4031713, 4031714, 4031715 Original log message: Adding full bibliography for 4031713--4031715.cif. |
4031713.cif |
| 169687 | 2015-10-23 | cif/ Adding structures of 4031713 via cif-deposit CGI script. |
4031713.cif |
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Users of the data should acknowledge the original authors of the
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